2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine

C15H17FN2O — CID 126469451

IUPAC2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(-c2ccccc2F)cn1
InChIInChI=1S/C15H17FN2O/c1-18(2)9-10-19-15-8-7-12(11-17-15)13-5-3-4-6-14(13)16/h3-8,11H,9-10H2,1-2H3
InChIKeyBSPXEESWMZTLAB-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.83
Rot. Bonds5

About 2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine

2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine (PubChem CID 126469451) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine
PubChem CID126469451
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(-c2ccccc2F)cn1
InChIInChI=1S/C15H17FN2O/c1-18(2)9-10-19-15-8-7-12(11-17-15)13-5-3-4-6-14(13)16/h3-8,11H,9-10H2,1-2H3
InChIKeyBSPXEESWMZTLAB-UHFFFAOYSA-N
XLogP2.83
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine (CID 126469451) is 2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine is CN(C)CCOc1ccc(-c2ccccc2F)cn1.
What is the InChIKey of 2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine?
The InChIKey is BSPXEESWMZTLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-18(2)9-10-19-15-8-7-12(11-17-15)13-5-3-4-6-14(13)16/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine?
2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine has a molecular weight of 260.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 126469451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).